| H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations R Anandakrishnan, B Aguilar, AV Onufriev Nucleic acids research 40 (W1), W537-W541, 2012 | 1719 | 2012 |
| Building water models: a different approach S Izadi, R Anandakrishnan, AV Onufriev The journal of physical chemistry letters 5 (21), 3863-3871, 2014 | 1029 | 2014 |
| Speed of conformational change: comparing explicit and implicit solvent molecular dynamics simulations R Anandakrishnan, A Drozdetski, RC Walker, AV Onufriev Biophysical journal 108 (5), 1153-1164, 2015 | 223 | 2015 |
| Modulation of nucleosomal DNA accessibility via charge-altering post-translational modifications in histone core AT Fenley, R Anandakrishnan, YH Kidane, AV Onufriev Epigenetics & chromatin 11, 1-19, 2018 | 101 | 2018 |
| Estimating the number of genetic mutations (hits) required for carcinogenesis based on the distribution of somatic mutations R Anandakrishnan, RT Varghese, NA Kinney, HR Garner PLoS computational biology 15 (3), e1006881, 2019 | 77 | 2019 |
| Statistics and physical origins of pK and ionization state changes upon protein-ligand binding B Aguilar, R Anandakrishnan, JZ Ruscio, AV Onufriev Biophysical journal 98 (5), 872-880, 2010 | 63 | 2010 |
| Analysis of basic clustering algorithms for numerical estimation of statistical averages in biomolecules R Anandakrishnan, A Onufriev Journal of Computational Biology 15 (2), 165-184, 2008 | 57 | 2008 |
| Why computed protein folding landscapes are sensitive to the water model R Anandakrishnan, S Izadi, AV Onufriev Journal of chemical theory and computation 15 (1), 625-636, 2018 | 41 | 2018 |
| Point charges optimally placed to represent the multipole expansion of charge distributions R Anandakrishnan, C Baker, S Izadi, AV Onufriev PloS one 8 (7), e67715, 2013 | 38 | 2013 |
| Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing units R Anandakrishnan, TRW Scogland, AT Fenley, JC Gordon, W Feng, ... Journal of Molecular Graphics and Modelling 28 (8), 904-910, 2010 | 37 | 2010 |
| Implicit solvent model for million-atom atomistic simulations: insights into the organization of 30-nm chromatin fiber S Izadi, R Anandakrishnan, AV Onufriev Journal of chemical theory and computation 12 (12), 5946-5959, 2016 | 36 | 2016 |
| Differentiating between cancer and normal tissue samples using multi-hit combinations of genetic mutations S Dash, NA Kinney, RT Varghese, HR Garner, W Feng, ... Scientific reports 9 (1), 1005, 2019 | 30 | 2019 |
| An N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions R Anandakrishnan, AV Onufriev Journal of computational chemistry 31 (4), 691-706, 2010 | 28 | 2010 |
| Biophysical comparison of ATP synthesis mechanisms shows a kinetic advantage for the rotary process R Anandakrishnan, Z Zhang, R Donovan-Maiye, DM Zuckerman Proceedings of the National Academy of Sciences 113 (40), 11220-11225, 2016 | 26 | 2016 |
| An n log n Generalized Born Approximation R Anandakrishnan, M Daga, AV Onufriev Journal of Chemical Theory and Computation 7 (3), 544-559, 2011 | 24 | 2011 |
| Functional bias in molecular evolution rate of Arabidopsis thaliana AS Warren, R Anandakrishnan, L Zhang BMC Evolutionary Biology 10, 1-10, 2010 | 23 | 2010 |
| Identifying multi-hit carcinogenic gene combinations: Scaling up a weighted set cover algorithm using compressed binary matrix representation on a GPU Q Al Hajri, S Dash, W Feng, HR Garner, R Anandakrishnan Scientific reports 10 (1), 2022, 2020 | 16 | 2020 |
| ZDHHC3 as a Risk and Mortality Marker for Breast Cancer in African American Women N Kinney, RT Varghese, R Anandakrishnan, HRS Garner Cancer informatics 16, 1176935117746644, 2017 | 12 | 2017 |
| Biophysical comparison of ATP-driven proton pumping mechanisms suggests a kinetic advantage for the rotary process depending on coupling ratio R Anandakrishnan, DM Zuckerman PloS one 12 (3), e0173500, 2017 | 12 | 2017 |
| TgTKL4 Is a Novel Kinase That Plays an Important Role in Toxoplasma Morphology and Fitness H Montano, R Anandkrishnan, VB Carruthers, RY Gaji Msphere 8 (2), e00649-22, 2023 | 11 | 2023 |
Alexey OnufrievVirginia TechVerified email at vt.edu
